AG003L25

18704-67-1 | 4-Chloro-2-(1H-pyrazol-3-yl)phenol

AG003L25

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CAS Number	18704-67-1
Catalog Number	AG003L25(AGN-PC-0O5M1G)
Chemical Name	4-Chloro-2-(1H-pyrazol-3-yl)phenol
EC Number	242-516-0
IUPAC Name	4-chloro-2-(1H-pyrazol-5-yl)phenol
InChI	InChI=1S/C9H7ClN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChI Key	DMGLUMYOLOAXJY-UHFFFAOYSA-N
MDL Number	MFCD00209566
Molecular Formula	C9H7ClN2O
Molecular Weight	194.6177
SMILES	OC1=CC=C(Cl)C=C1C2=NNC=C2
Synonyms	4-Chloro-2-(1H-pyrazol-3-yl)phenol, 18704-67-1, 3-(5-Chloro-2-hydroxyphenyl)pyrazole, CHEMBL2032374, MFCD00209566, 4-chloro-2-(1h-pyrazol-5-yl)phenol, AK-820/42007327, 4-chloro-2-pyrazol-3-ylphenol, 3vbt, EINECS 242-516-0, AC1NWBQF, AC1OAJRH, ACMC-20amm6, AC1NUN4Z, AC1Q786M, SCHEMBL2044791, SCHEMBL6077235, CTK4D9394, DMGLUMYOLOAXJY-UHFFFAOYSA-N, ZINC4716338, 5585AH, BDBM50383271, CCG-52358, SBB057719, ZINC91684260, AKOS000275898, AKOS006229457, ZINC100353396, FCH1600659, FS-1304, MCULE-5853901403, VP20061, 2-(1H-Pyrazole-5-yl)-4-chlorophenol, 4-chloro-2-(1H-pyrazol-3-yl)-phenol, ACM18704671, KS-000017N2, CC-12560, Phenol,4-chloro-2-(1H-pyrazol-3-yl)-, 5-(2'-hydroxy-5'-chlorophenyl)-pyrazole, 3-(5-Chloro-2-hydroxyphenyl)-1H-pyrazole, DB-044625, Phenol, 4-chloro-2-(1H-pyrazol-3-yl)-, TC-168981, FT-0637740, ST50827036, 4-Chloro-2-(1H-pyrazol-3-yl)phenol, 98%, K-5619, A813104, C-08765, J-012030, SR-01000641599-1, I14-49413, 4-chloro-6-(1,2-dihydropyrazol-3-ylidene)-1-cyclohexa-2,4-dienone, 4-chloro-6-(1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one, (6E)-4-chloro-6-(1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one, (6Z)-4-chloro-6-(1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one, 4-chloranyl-6-(1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one, 0F9, C9H7ClN2O, C9-H7-Cl-N2-O, ZINC00001757, CID5483944, CID5702660, CID6805776, C2818,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.025g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.618g/mol
Monoisotopic Mass	194.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	48.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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